(2,5-dioxopyrrolidin-1-yl) 2-[(4R)-1,3-diethyl-2,5-dioxoimidazolidin-4-yl]acetate

C13H17N3O6 — CID 94854555

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[(4R)-1,3-diethyl-2,5-dioxoimidazolidin-4-yl]acetate
SMILESCCN1C(=O)[C@@H](CC(=O)ON2C(=O)CCC2=O)N(CC)C1=O
InChIInChI=1S/C13H17N3O6/c1-3-14-8(12(20)15(4-2)13(14)21)7-11(19)22-16-9(17)5-6-10(16)18/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyIAUJXCXJUKWRII-MRVPVSSYSA-N
MW311.29 g/mol
LogP-0.34
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 2-[(4R)-1,3-diethyl-2,5-dioxoimidazolidin-4-yl]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[(4R)-1,3-diethyl-2,5-dioxoimidazolidin-4-yl]acetate (PubChem CID 94854555) has the molecular formula C13H17N3O6 and a molecular weight of 311.29 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[(4R)-1,3-diethyl-2,5-dioxoimidazolidin-4-yl]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[(4R)-1,3-diethyl-2,5-dioxoimidazolidin-4-yl]acetate
PubChem CID94854555
Molecular FormulaC13H17N3O6
Molecular Weight311.29 g/mol
Exact Mass311.11
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[(4R)-1,3-diethyl-2,5-dioxoimidazolidin-4-yl]acetate
SMILESCCN1C(=O)[C@@H](CC(=O)ON2C(=O)CCC2=O)N(CC)C1=O
InChIInChI=1S/C13H17N3O6/c1-3-14-8(12(20)15(4-2)13(14)21)7-11(19)22-16-9(17)5-6-10(16)18/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyIAUJXCXJUKWRII-MRVPVSSYSA-N
XLogP-0.34
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(4R)-1,3-diethyl-2,5-dioxoimidazolidin-4-yl]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(4R)-1,3-diethyl-2,5-dioxoimidazolidin-4-yl]acetate (CID 94854555) is (2,5-dioxopyrrolidin-1-yl) 2-[(4R)-1,3-diethyl-2,5-dioxoimidazolidin-4-yl]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[(4R)-1,3-diethyl-2,5-dioxoimidazolidin-4-yl]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[(4R)-1,3-diethyl-2,5-dioxoimidazolidin-4-yl]acetate is CCN1C(=O)[C@@H](CC(=O)ON2C(=O)CCC2=O)N(CC)C1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[(4R)-1,3-diethyl-2,5-dioxoimidazolidin-4-yl]acetate?
The InChIKey is IAUJXCXJUKWRII-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H17N3O6/c1-3-14-8(12(20)15(4-2)13(14)21)7-11(19)22-16-9(17)5-6-10(16)18/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[(4R)-1,3-diethyl-2,5-dioxoimidazolidin-4-yl]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[(4R)-1,3-diethyl-2,5-dioxoimidazolidin-4-yl]acetate has a molecular weight of 311.29 g/mol, XLogP of -0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[(4R)-1,3-diethyl-2,5-dioxoimidazolidin-4-yl]acetate is sourced from PubChem (CID 94854555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).